5-nitro-2-(1H-pyrrol-1-yl)benzonitrile
TL;DR: 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile (CAS 106981-59-3) is a chemical compound with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-pyrrol-1-ylbenzonitrile
Also Known As: 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile, 5-nitro-2-pyrrol-1-ylbenzonitrile, Maybridge1_000610, N-(2-Cyano-4-nitrophenyl)pyrrole, 5-nitro-2-pyrrol-1-yl-benzonitrile
| Molecular Formula | C11H7N3O2 |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 2.25718 |
| Topological Polar Surface Area | 71.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.05383 |
| Heavy Atoms | 16 |
| Complexity | 567.41077 |
Chemical Identifiers
| CAS Number | 106981-59-3 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
5-nitro-2-(1H-pyrrol-1-yl)benzonitrile (CAS 106981-59-3), with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol. IUPAC: 5-nitro-2-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile
Property Insights of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile
The XLogP value of 2.25718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile. The TPSA of 71.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile. Following Lipinski's Rule of Five, 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile?
The CAS number of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile is 106981-59-3.
What is the molecular formula of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile is C11H7N3O2.
What is the molecular weight of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile is 213.05 g/mol.
Where can I buy 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-2-(1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.